#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wqk s THR 2 N 0.00 3.34 -0.14 2.61 2.01 -1.26 -4.93 115.64 117.27 1wqk s THR 2 Ca 0.00 0.16 -0.18 0.00 0.31 0.00 0.00 61.69 61.98 1wqk s THR 2 Cb 0.00 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 1wqk s THR 2 CO 0.00 -0.87 0.49 -0.89 -0.69 0.00 0.00 174.62 172.65 1wqk s THR 3 N 9.29 5.17 -0.01 -0.82 2.01 -1.26 -1.33 115.64 128.69 1wqk s THR 3 Ca 0.69 0.95 -0.07 0.00 0.31 0.00 0.00 61.69 63.57 1wqk s THR 3 Cb -0.12 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.57 1wqk s THR 3 CO 0.20 0.29 0.15 0.00 -0.69 0.00 0.00 174.62 174.56 1wqk s TYR 5 N -1.20 2.82 -0.77 0.00 1.51 -1.26 0.07 117.35 118.51 1wqk s TYR 5 Ca -0.13 -0.97 -0.20 0.00 -1.01 0.00 0.00 57.07 54.76 1wqk s TYR 5 Cb -0.07 -1.92 0.10 0.00 -0.11 0.00 0.00 41.96 39.96 1wqk s TYR 5 CO 0.01 -0.45 1.00 0.00 -1.11 0.00 0.00 175.55 175.01 1wqk n GLY 7 N 5.39 1.51 0.49 0.00 0.00 -1.26 -1.54 105.19 109.78 1wqk n GLY 7 Ca 0.08 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1wqk n GLY 7 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wqk n LYS 8 N 0.00 0.00 -4.96 1.61 2.85 -1.26 -5.07 118.16 111.33 1wqk n LYS 8 Ca 0.00 -0.90 -0.32 0.00 -1.05 0.00 0.00 58.31 56.03 1wqk n LYS 8 Cb 0.00 -0.46 -0.15 0.00 -0.65 0.00 0.00 35.03 33.77 1wqk n LYS 8 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1wqk s THR 9 N 0.00 2.67 -0.35 0.58 2.01 -0.59 -5.09 115.64 114.88 1wqk s THR 9 Ca 0.00 -0.81 -0.27 0.00 0.31 0.00 0.00 61.69 60.92 1wqk s THR 9 Cb 0.00 -2.08 0.01 0.00 0.01 0.00 0.00 72.50 70.45 1wqk s THR 9 CO 0.00 0.54 0.98 -0.51 -0.69 0.00 0.00 174.62 174.95 1wqk s ILE 10 N 0.21 4.56 0.41 1.82 1.10 -1.26 -0.48 121.20 127.56 1wqk s ILE 10 Ca -0.11 1.41 0.04 0.00 -0.51 0.00 0.00 60.65 61.48 1wqk s ILE 10 Cb -0.16 -4.36 -0.05 0.00 0.15 0.00 0.00 42.46 38.04 1wqk s ILE 10 CO 0.06 -0.51 0.05 -0.83 -2.11 0.00 0.00 174.94 171.60 1wqk s GLY 11 N 1.79 2.52 -0.15 1.50 0.00 0.11 -1.45 107.32 111.64 1wqk s GLY 11 Ca 0.41 -1.56 -0.03 0.00 0.00 0.00 0.00 44.72 43.54 1wqk s GLY 11 CO 0.17 -1.98 -0.05 -1.50 0.00 0.00 0.00 173.10 169.74 1wqk s ILE 12 N -3.04 3.76 -0.49 0.90 -1.16 0.76 -1.58 121.20 120.36 1wqk s ILE 12 Ca 0.26 -0.41 -0.26 0.00 -0.51 0.00 0.00 60.65 59.74 1wqk s ILE 12 Cb 0.06 -2.63 0.03 0.00 0.61 0.00 0.00 42.46 40.53 1wqk s ILE 12 CO 0.13 0.50 0.98 -0.47 -2.81 0.00 0.00 174.94 173.28 1wqk s TYR 13 N 0.31 2.86 -0.57 3.50 5.04 -0.44 -1.11 117.35 126.93 1wqk s TYR 13 Ca -0.05 0.37 -0.20 0.00 -2.44 0.00 0.00 57.07 54.76 1wqk s TYR 13 Cb -0.14 -4.11 0.08 0.00 0.35 0.00 0.00 41.96 38.14 1wqk s TYR 13 CO 0.03 -1.21 0.73 -1.58 -1.34 0.00 0.00 175.55 172.18 1wqk s TRP 14 N 4.00 2.96 -0.23 4.97 0.52 0.83 -4.85 118.94 127.15 1wqk s TRP 14 Ca 0.38 -0.72 -0.21 0.00 0.02 0.00 0.00 56.10 55.57 1wqk s TRP 14 Cb -0.10 -3.90 -0.02 0.00 -1.15 0.00 0.00 33.47 28.30 1wqk s TRP 14 CO 0.26 -1.26 0.63 0.12 0.02 0.00 0.00 176.95 176.72 1wqk s PHE 15 N 2.92 3.32 0.00 -1.98 5.36 -1.26 -1.41 117.98 124.92 1wqk s PHE 15 Ca 0.15 0.86 0.00 0.00 -0.96 0.00 0.00 56.93 56.98 1wqk s PHE 15 Cb -0.21 -2.83 0.00 0.00 -0.34 0.00 0.00 43.02 39.64 1wqk s PHE 15 CO 0.09 -0.27 0.00 0.41 -1.46 0.00 0.00 175.22 173.99 1wqk n GLY 16 N 4.02 0.48 3.72 13.12 0.00 -1.23 -5.04 105.19 120.25 1wqk n GLY 16 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1wqk n GLY 16 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wqk s THR 17 N -1.05 4.23 -2.71 2.61 -1.32 -1.26 -5.00 115.64 111.14 1wqk s THR 17 Ca 0.00 -0.88 0.23 0.00 -1.21 0.00 0.00 61.69 59.82 1wqk s THR 17 Cb 0.00 -3.02 0.25 0.00 -1.51 0.00 0.00 72.50 68.22 1wqk s THR 17 CO 0.00 0.13 1.27 0.29 -2.21 0.00 0.00 174.62 174.11 1wqk n LYS 18 N 0.55 2.27 -4.01 7.08 5.02 -1.26 -3.98 118.16 123.83 1wqk n LYS 18 Ca -0.10 -1.99 -0.09 0.00 -2.02 0.00 0.00 58.31 54.11 1wqk n LYS 18 Cb 0.52 -1.46 -0.11 0.00 -0.02 0.00 0.00 35.03 33.96 1wqk n LYS 18 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1wqk s THR 19 N -1.76 0.15 -0.24 -0.18 -1.32 -1.26 -4.97 115.64 106.06 1wqk s THR 19 Ca 0.30 -1.15 -0.26 0.00 -1.21 0.00 0.00 61.69 59.38 1wqk s THR 19 Cb 0.20 -0.59 -0.00 0.00 -1.51 0.00 0.00 72.50 70.60 1wqk s THR 19 CO 0.29 -0.62 0.89 0.00 -2.21 0.00 0.00 174.62 172.97 1wqk s PRO 21 N 2.95 2.35 -1.52 0.00 0.04 -1.26 -4.86 135.00 132.71 1wqk s PRO 21 Ca 0.37 0.62 -0.10 0.00 0.04 0.00 0.00 61.00 61.93 1wqk s PRO 21 Cb -0.15 -4.62 -0.01 0.00 0.04 0.00 0.00 34.50 29.76 1wqk s PRO 21 CO 0.07 -3.21 2.63 0.45 0.04 0.00 0.00 177.00 176.99 1wqk n SER 22 N 14.51 7.27 -0.51 6.66 2.88 -1.26 -4.18 113.62 138.99 1wqk n SER 22 Ca 0.32 -2.76 0.07 0.00 -1.33 0.00 0.00 58.87 55.17 1wqk n SER 22 Cb 0.51 -1.55 0.04 0.00 -0.75 0.00 0.00 64.21 62.46 1wqk n SER 22 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1wqk n ASN 23 N 3.92 2.00 -0.28 -3.46 6.94 -1.26 -4.43 115.26 118.68 1wqk n ASN 23 Ca 0.67 -1.50 0.07 0.00 -0.02 0.00 0.00 54.58 53.80 1wqk n ASN 23 Cb 0.28 0.15 0.11 0.00 -2.36 0.00 0.00 39.78 37.95 1wqk n ASN 23 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1wqk n ARG 24 N 0.52 0.92 -3.00 -3.83 1.74 -1.26 -4.98 116.66 106.77 1wqk n ARG 24 Ca 0.08 -2.21 -0.14 0.00 -0.77 0.00 0.00 57.85 54.80 1wqk n ARG 24 Cb 0.35 -1.19 0.04 0.00 -1.02 0.00 0.00 32.46 30.63 1wqk n ARG 24 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wqk n GLY 25 N -0.96 -0.00 3.66 -0.13 0.00 -1.26 -4.75 105.19 101.74 1wqk n GLY 25 Ca 0.12 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1wqk n GLY 25 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wqk s TYR 26 N -3.09 2.15 -0.14 1.61 2.02 -1.26 -4.66 117.35 113.97 1wqk s TYR 26 Ca 0.29 0.34 0.08 0.00 -0.37 0.00 0.00 57.07 57.42 1wqk s TYR 26 Cb -0.13 -3.84 -0.23 0.00 -0.40 0.00 0.00 41.96 37.36 1wqk s TYR 26 CO 0.36 -3.47 0.27 2.41 -1.57 0.00 0.00 175.55 173.55 1wqk n THR 27 N 5.43 1.56 -4.14 -0.71 -1.04 -0.04 -4.94 114.28 110.40 1wqk n THR 27 Ca 0.17 -0.75 -0.13 0.00 -2.04 0.00 0.00 64.05 61.29 1wqk n THR 27 Cb 0.43 -1.08 -0.07 0.00 -1.82 0.00 0.00 70.33 67.79 1wqk n THR 27 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1wqk s GLY 28 N -5.56 1.43 0.13 3.41 0.00 -0.50 -5.02 107.32 101.21 1wqk s GLY 28 Ca -0.15 -1.55 -0.22 0.00 0.00 0.00 0.00 44.72 42.80 1wqk s GLY 28 CO 0.78 -1.14 0.55 -1.35 0.00 0.00 0.00 173.10 171.94 1wqk s SER 29 N -3.19 -0.49 0.01 1.64 1.04 -1.26 -0.16 113.70 111.30 1wqk s SER 29 Ca 0.33 -0.02 0.02 0.00 0.48 0.00 0.00 55.95 56.77 1wqk s SER 29 Cb 0.02 0.56 -0.01 0.00 0.10 0.00 0.00 66.02 66.69 1wqk s SER 29 CO 0.17 -0.90 -0.08 0.00 0.98 0.00 0.00 173.24 173.40 1wqk s GLY 31 N -0.52 2.19 0.28 0.00 0.00 -1.26 -1.10 107.32 106.91 1wqk s GLY 31 Ca 0.00 1.17 0.03 0.00 0.00 0.00 0.00 44.72 45.91 1wqk s GLY 31 CO 0.00 2.25 0.06 -0.47 0.00 0.00 0.00 173.10 174.94 1wqk s TYR 32 N 0.53 1.72 -0.38 1.90 5.04 -0.30 -4.87 117.35 121.00 1wqk s TYR 32 Ca 0.61 -1.04 -0.29 0.00 -2.44 0.00 0.00 57.07 53.90 1wqk s TYR 32 Cb -0.38 -1.06 -0.08 0.00 0.35 0.00 0.00 41.96 40.79 1wqk s TYR 32 CO 0.36 -0.14 2.31 1.19 -1.34 0.00 0.00 175.55 177.92 1wqk n PHE 33 N -0.55 1.63 -1.73 4.97 3.72 -1.26 -1.63 117.46 122.61 1wqk n PHE 33 Ca -0.02 0.07 -0.20 0.00 -0.05 0.00 0.00 57.45 57.25 1wqk n PHE 33 Cb 0.66 -2.64 -0.07 0.00 -0.94 0.00 0.00 39.48 36.49 1wqk n PHE 33 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1wqk n LEU 34 N 12.64 -1.52 0.00 4.37 7.99 -1.26 -4.86 117.00 134.36 1wqk n LEU 34 Ca 0.37 0.40 -0.02 0.00 -0.01 0.00 0.00 56.01 56.75 1wqk n LEU 34 Cb 0.41 -2.77 0.01 0.00 -0.11 0.00 0.00 43.42 40.96 1wqk n LEU 34 CO 0.71 -0.88 0.21 0.61 -1.51 0.00 0.00 177.39 176.53 1wqk n GLY 35 N -0.48 1.36 2.96 -0.72 0.00 -0.65 -3.51 105.19 104.15 1wqk n GLY 35 Ca -0.21 -1.04 -0.19 0.00 0.00 0.00 0.00 46.02 44.58 1wqk n GLY 35 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wqk s ILE 36 N -2.56 0.65 -0.43 -0.61 2.07 -0.50 -1.15 121.20 118.67 1wqk s ILE 36 Ca 0.06 -0.27 -0.16 0.00 -1.41 0.00 0.00 60.65 58.88 1wqk s ILE 36 Cb -0.01 -0.60 0.03 0.00 0.13 0.00 0.00 42.46 42.01 1wqk s ILE 36 CO 0.03 0.22 0.37 0.00 -1.91 0.00 0.00 174.94 173.64 1wqk s TYR 39 N 0.70 2.26 0.40 0.00 -0.85 0.78 -0.17 117.35 120.48 1wqk s TYR 39 Ca 0.03 -0.34 -0.01 0.00 -0.52 0.00 0.00 57.07 56.22 1wqk s TYR 39 Cb -0.13 -0.99 -0.03 0.00 0.38 0.00 0.00 41.96 41.19 1wqk s TYR 39 CO 0.02 0.69 0.64 -1.25 -1.52 0.00 0.00 175.55 174.13 1wqk s PRO 40 N -3.47 3.45 -0.72 -3.49 0.04 -1.26 -0.86 135.00 128.69 1wqk s PRO 40 Ca 0.29 -0.19 -0.26 0.00 0.04 0.00 0.00 61.00 60.89 1wqk s PRO 40 Cb -0.05 -2.56 -0.02 0.00 0.04 0.00 0.00 34.50 31.91 1wqk s PRO 40 CO 0.14 -0.01 1.81 0.08 0.04 0.00 0.00 177.00 179.06 1wqk s VAL 41 N -2.48 3.44 0.00 -0.36 1.01 -0.53 -4.81 120.40 116.68 1wqk s VAL 41 Ca 0.43 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1wqk s VAL 41 Cb -0.10 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.17 1wqk s VAL 41 CO 0.39 -1.06 0.08 -0.67 0.00 0.00 0.00 175.10 173.83